9554614 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 16 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 7 7 8 8 8 9 9 10 10 11 12 13 14 16 16 17 17 18 14 18 13 6 29 7 13 23 15 27 28 15 9 10 11 12 15 11 19 12 20 21 22 14 16 17 24 18 25 26 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 6 -1 3 15 8 5 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 3.675 2 2.866 3.732 4.5981 2.866 3.732 3.732 2.866 4.5981 2.866 4.5981 2.866 2.866 3.732 2.057 2.366 3.366 2.3291 5.135 2.3291 5.135 4.269 1.4674 2.0016 3.7304 4.5981 5.135 2.3291 -3.4734 -1.3856 4.1144 -1.3856 3.1144 3.1144 -0.3856 1.6144 0.1144 0.1144 1.1144 1.1144 -1.8856 -2.8856 2.6144 -3.4734 -4.4244 -4.4244 -0.1956 -0.1956 1.4244 1.4244 -1.6956 -3.2818 -4.926 -4.926 3.7344 2.8044 4.4244 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 8 8 9 10 14 16 17 14 18 9 10 11 12 11 12 16 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073300040000000000000000000000000012000000030000000000000000001C000001E04140800000C0885D800B1C182D00008AC0227727000830080250A104888192064D80820B2E09591842108609400E8C9871880000E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(Z)-amino(hydroxyimino)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[(<I>Z</I>)-<I>N</I>&apos;-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]thiophene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[(Z)-aminocarbohydroximoyl]phenyl]thiophene-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H11N3O2S/c13-11(15-17)8-3-5-9(6-4-8)14-12(16)10-2-1-7-18-10/h1-7,17H,(H2,13,15)(H,14,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SQQUHJREVOAAOE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.05719778 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H11N3O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=NO)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)/C(=N/O)/N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.05719778 18 0 0 0 1 1 0 0 1 -1